Spektraris NMR
Hebeirubescensin I
Common Name: Hebeirubescensin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-17,22-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,14+,15+,16-,17-,19-,20-,21-/m0/s1
InChIKey: InChIKey=IGWYEXHQPGSZHK-DZENIVCXSA-N
Formula: C21H32O7
Molecular Weight: 396.475392
Exact Mass: 396.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Zhou, Y., Pu, J.X., Li, R.T., Li, M., Xiao, W.L., Lou, L.G., Han, Q.B., Ding, L.S., Peng, S.L., Sun, H.D. Tetrahedron (2006) 62, 4941-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 75.5 |
| 2 (CH2) | 30.9 |
| 3 (CH2) | 39.3 |
| 4 (C) | 33.3 |
| 5 (CH) | 57.8 |
| 6 (CH) | 73.6 |
| 7 (C) | 101.8 |
| 8 (C) | 52.8 |
| 9 (CH) | 45.1 |
| 10 (C) | 43.6 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 34 |
| 13 (CH) | 47 |
| 14 (CH) | 76.1 |
| 15 (CH) | 73.2 |
| 16 (C) | 161.4 |
| 17 (CH2) | 108.8 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 22.2 |
| 20 (CH) | 103.7 |
| 20a (CH3) | 55.3 |
